REMARK  Name = BDB002096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.771   2.192   0.593  0.00  0.00    -0.037 A 
ATOM      2  C   LIG    1       -0.308   1.933  -0.704  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        0.819   1.134  -0.909  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        1.495   0.568   0.180  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        1.047   0.835   1.477  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.082   1.635   1.680  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.703  -0.260  -0.094  0.00  0.00    +0.280 C 
ATOM      8  N   LIG    1        3.123  -1.372   0.677  0.00  0.00    -0.181 N 
ATOM      9  C   LIG    1        4.286  -2.143   0.523  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1        4.206  -3.144   1.464  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        3.000  -2.923   2.143  0.00  0.00    +0.155 A 
ATOM     12  N   LIG    1        2.336  -1.861   1.684  0.00  0.00    -0.169 NA
ATOM     13  O   LIG    1        3.383   0.029  -1.083  0.00  0.00    -0.265 OA
BRANCH   9  14
ATOM     14  N   LIG    1        5.241  -1.859  -0.399  0.00  0.00    -0.342 N 
ATOM     15  H   LIG    1        5.050  -1.154  -1.122  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1        5.965  -2.523  -0.664  0.00  0.00    +0.144 HD
ENDBRANCH   9  14
BRANCH  10  17
ATOM     17  C   LIG    1        5.147  -4.183   1.704  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        5.903  -5.040   1.907  0.00  0.00    -0.191 NA
ENDBRANCH  10  17
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.001   3.040   0.814  0.00  0.00    +0.112 C 
BRANCH  19  20
ATOM     20  S   LIG    1       -3.496   2.037   1.068  0.00  0.00    -0.081 S 
BRANCH  20  23
ATOM     21  C   LIG    1       -5.155  -0.500  -0.036  0.00  0.00    +0.152 C 
ATOM     22  N   LIG    1       -4.609   0.510  -0.901  0.00  0.00    -0.312 N 
ATOM     23  C   LIG    1       -3.891   1.618  -0.560  0.00  0.00    +0.191 A 
ATOM     24  N   LIG    1       -3.577   2.288  -1.645  0.00  0.00    -0.123 NA
ATOM     25  N   LIG    1       -4.084   1.599  -2.724  0.00  0.00    -0.137 NA
ATOM     26  C   LIG    1       -4.702   0.537  -2.260  0.00  0.00    +0.225 A 
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6